SCHEMBL8501243

SCHEMBL8501243

CCC(=O)Oc1ccc(Oc2c(-c3ccc(Cl)cc3)ccc3cc(OC)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8497579 0.93 SMN1; SMN2 (0.42) KDM4EESR1ESR2KMT2AMAPT
SCHEMBL8501462 0.90 ESR1 (0.47) KDM4EESR1ESR2KMT2AMEN1
SCHEMBL8500225 0.89 ESR1 (0.48) KDM4EESR1ESR2KMT2AMEN1
SCHEMBL8501430 0.89 ESR1 (0.46) KDM4EESR1ESR2MAPTNPSR1
SCHEMBL8497550 0.86 ESR1 (0.49) KDM4EESR1ESR2KMT2AMEN1
SCHEMBL8502205 0.86 MTNR1A (0.43) ESR1ESR2THRBGAA
SCHEMBL8497879 0.86 KMT2A (0.42) KDM4EESR1ESR2KMT2AMAPT
SCHEMBL8501413 0.84 AKR1C3 (0.42) ESR1ESR2PTGS2
SCHEMBL8497702 0.83 ESR1 (0.49) ESR1ESR2KMT2AMEN1THRB
SCHEMBL8497439 0.82 ESR1 (0.49) KDM4EESR1ESR2ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed